5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine

C112H143FN26O2 — CID 157488965

About 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine

5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157488965) has the molecular formula C112H143FN26O2 and a molecular weight of 1904.55 g/mol. Its IUPAC name is 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 157488965
• Molecular Formula: C112H143FN26O2
• Molecular Weight: 1904.55 g/mol
• Exact Mass: 1903.19
• IUPAC Name: 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCC(C)Nc1nc(C)nc2ccn(Cc3ccc(OC)cc3)c12.CCCC(C)Nc1nc(C)nc2ccn(Cc3ccccc3F)c12.CCCCNc1nc(C)nc2cc(C)n(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CC3CCC3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OC)c12.CCCCNc1nc(C)nc2ccn(Cc3cn4ccccc4n3)c12
• InChI: InChI=1S/C20H26N4O.C19H23FN4.C19H22N6.C19H24N4O.C19H24N4.C16H24N4/c1-5-6-14(2)21-20-19-18(22-15(3)23-20)11-12-24(19)13-16-7-9-17(25-4)10-8-16;1-4-7-13(2)21-19-18-17(22-14(3)23-19)10-11-24(18)12-15-8-5-6-9-16(15)20;1-3-4-9-20-19-18-16(21-14(2)22-19)8-11-25(18)13-15-12-24-10-6-5-7-17(24)23-15;1-4-5-11-20-19-18-16(21-14(2)22-19)10-12-23(18)13-15-8-6-7-9-17(15)24-3;1-4-5-11-20-19-18-17(21-15(3)22-19)12-14(2)23(18)13-16-9-7-6-8-10-16;1-3-4-9-17-16-15-14(18-12(2)19-16)8-10-20(15)11-13-6-5-7-13/h7-12,14H,5-6,13H2,1-4H3,(H,21,22,23);5-6,8-11,13H,4,7,12H2,1-3H3,(H,21,22,23);5-8,10-12H,3-4,9,13H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);8,10,13H,3-7,9,11H2,1-2H3,(H,17,18,19)
• InChIKey: BXAURILOPHZLSE-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 292.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.55
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine (CID 157488965) is 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine is CCCC(C)Nc1nc(C)nc2ccn(Cc3ccc(OC)cc3)c12.CCCC(C)Nc1nc(C)nc2ccn(Cc3ccccc3F)c12.CCCCNc1nc(C)nc2cc(C)n(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CC3CCC3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OC)c12.CCCCNc1nc(C)nc2ccn(Cc3cn4ccccc4n3)c12.

What is the InChIKey of 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is BXAURILOPHZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.C19H23FN4.C19H22N6.C19H24N4O.C19H24N4.C16H24N4/c1-5-6-14(2)21-20-19-18(22-15(3)23-20)11-12-24(19)13-16-7-9-17(25-4)10-8-16;1-4-7-13(2)21-19-18-17(22-14(3)23-19)10-11-24(18)12-15-8-5-6-9-16(15)20;1-3-4-9-20-19-18-16(21-14(2)22-19)8-11-25(18)13-15-12-24-10-6-5-7-17(24)23-15;1-4-5-11-20-19-18-16(21-14(2)22-19)10-12-23(18)13-15-8-6-7-9-17(15)24-3;1-4-5-11-20-19-18-17(21-15(3)22-19)12-14(2)23(18)13-16-9-7-6-8-10-16;1-3-4-9-17-16-15-14(18-12(2)19-16)8-10-20(15)11-13-6-5-7-13/h7-12,14H,5-6,13H2,1-4H3,(H,21,22,23);5-6,8-11,13H,4,7,12H2,1-3H3,(H,21,22,23);5-8,10-12H,3-4,9,13H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);8,10,13H,3-7,9,11H2,1-2H3,(H,17,18,19).

What are the key properties of 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine?

5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1904.55 g/mol, XLogP of 24.64, 38 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-butyl-2,6-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(cyclobutylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-fluorophenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157488965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).